SCHEMBL9591654

SCHEMBL9591654

CCc1ccc(CN2CCC(NC(=O)NC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.84
▸ KMT2A Q03164 5/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ MCHR1 Q99705 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ POLB P06746 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ DRD2 P14416 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ SIGMAR1 Q99720 3/20 0.58
▸ TMEM97 Q5BJF2 2/20 0.58
▸ SLC6A12 P48065 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8786936 0.92 DRD4 (1.00) DRD4KMT2AMEN1MCHR1LMNA
SCHEMBL9592422 0.90 DRD4 (0.79) DRD4KMT2AMEN1MCHR1LMNA
SCHEMBL10904068 0.89 DRD4 (0.77) DRD4KMT2AMEN1MCHR1LMNA
SCHEMBL9592321 0.89 DRD4 (0.80) DRD4KMT2AMEN1MCHR1LMNA
SCHEMBL9592555 0.88 DRD4 (0.79) DRD4KMT2AMEN1MCHR1LMNA
SCHEMBL9592720 0.86 DRD4 (0.72) DRD4KMT2AMEN1MCHR1POLB
SCHEMBL9594182 0.86 DRD4 (0.72) DRD4KMT2AMEN1MCHR1POLB
SCHEMBL9592718 0.86 DRD4 (0.84) DRD4KMT2AMEN1MCHR1DRD2
SCHEMBL9591760 0.85 KMT2A (0.83) DRD4KMT2AMEN1MCHR1POLB
SCHEMBL9590759 0.85 DRD4 (0.75) DRD4KMT2AMEN1MCHR1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035374-B1 PIPERIDYL - UREA, - THIOUREA AND - GUANIDINE DERIVATIVES, AND INTERMEDIATES THEREFOR, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1985-01-30 — — EP claimed
US-4426387-A Piperid-4-yl ureas and thio ureas used as anti-depressant agents JOHN WYETH & BROTHER LTD. (GB) 1984-01-17 — — US claimed
EP-0035374-A2 Piperidyl - urea, - thiourea and - guanidine derivatives, and intermediates therefor, processes for preparing them and pharmaceutical compositions containing the derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-09-09 — — EP claimed
US-5212179-A Antidepressants JOHN WYETH AND BROTHER LIMITED (GB) 1993-05-18 — — US disclosed
US-4985438-A PSYCHOTROPIC ACTIVITY, ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1991-01-15 — — US disclosed
US-4806552-A ANTIDEPRESSANTS JOHN WYETH & BROTHER, LIMITED (GB) 1989-02-21 — — US disclosed
US-4722930-A ANTIDEPRESSANTS JOHN WYETH AND BROTHER LIMITED (GB) 1988-02-02 — — US disclosed
US-4563466-A ANTISEROTONINE JOHN WYETH & BROTHER LIMITED (GB) 1986-01-07 — — US disclosed
EP-0035374-B1 PIPERIDYL - UREA, - THIOUREA AND - GUANIDINE DERIVATIVES, AND INTERMEDIATES THEREFOR, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1985-01-30 — — EP disclosed
US-4426387-A Piperid-4-yl ureas and thio ureas used as anti-depressant agents JOHN WYETH & BROTHER LTD. (GB) 1984-01-17 — — US disclosed
EP-0035374-A2 Piperidyl - urea, - thiourea and - guanidine derivatives, and intermediates therefor, processes for preparing them and pharmaceutical compositions containing the derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-09-09 — — EP disclosed
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